| Properties | Image |
|---|
| MNX_ID | MNXM1131640 |
 |
| reference | lipidmapsM:LMSP02040123 |
| formula | C70H135NO5 |
| global charge | 0 |
| mol weight | 1070.852 |
| InChIKey | MSAJFVHOPUHOMW-NDJYCALWSA-N |
| InChI | InChI=1S/C70H135NO5/c1-3-5-7-9-11-13-15-17-34-38-42-46-50-54-58-62-68(73)67(66-72)71-69(74)63-59-55-51-47-43-39-36-32-30-28-26-24-22-20-19-21-23-25-27-29-31-33-37-41-45-49-53-57-61-65-76-70(75)64-60-56-52-48-44-40-35-18-16-14-12-10-8-6-4-2/h12,14,18,35,67-68,72-73H,3-11,13,15-17,19-34,36-66H2,1-2H3,(H,71,74)/b14-12-,35-18-/t67-,68+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H135NO5/c1-3-5-7-9-11-13-15-17-34-38-42-46-50-54-58-62-68(73)67(66-72)71-69(74)63-59-55-51-47-43-39-36-32-30-28-26-24-22-20-19-21-23-25-27-29-31-33-37-41-45-49-53-57-61-65-76-70(75)64-60-56-52-48-44-40-35-18-16-14-12-10-8-6-4-2/h12,14,18,35,67-68,72-73H,3-11,13,15-17,19-34,36-66H2,1-2H3,(H,71,74)/b14-12-,35-18-/t67-,68+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][C@H:68]([C@H:67]([CH2:66][OH:72])[N:71]=[C:69]([CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:36][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][CH2:65][O:76][C:70]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40]/[CH:35]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:75])[OH:74])[OH:73] |
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